(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

C19H16F3NO3 — CID 59492747

IUPAC(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC(O)C1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-11(9-16(14)18)17(25)23-8-7-12(24)10-23/h1-6,9,12,24,26H,7-8,10H2
InChIKeyWSMVTDZAYFZQIP-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.67
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492747) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492747
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC(O)C1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-11(9-16(14)18)17(25)23-8-7-12(24)10-23/h1-6,9,12,24,26H,7-8,10H2
InChIKeyWSMVTDZAYFZQIP-UHFFFAOYSA-N
XLogP2.67
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(1-methoxyethenyl)azetidin-1-yl]methanone
CID 143972557
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 59492597
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 143972525
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492747) is (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is WSMVTDZAYFZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-11(9-16(14)18)17(25)23-8-7-12(24)10-23/h1-6,9,12,24,26H,7-8,10H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 363.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).